(3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one

C12H14F3N3O3S — CID 125142953

IUPAC(3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCNS(=O)(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C12H14F3N3O3S/c1-16-22(20,21)17-9-6-7-18(11(9)19)10-5-3-2-4-8(10)12(13,14)15/h2-5,9,16-17H,6-7H2,1H3/t9-/m1/s1
InChIKeyPVYCFCTWKXSDHW-SECBINFHSA-N
MW337.32 g/mol
LogP0.86
Rot. Bonds4

About (3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one

(3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 125142953) has the molecular formula C12H14F3N3O3S and a molecular weight of 337.32 g/mol. Its IUPAC name is (3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID125142953
Molecular FormulaC12H14F3N3O3S
Molecular Weight337.32 g/mol
Exact Mass337.07
IUPAC Name(3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCNS(=O)(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C12H14F3N3O3S/c1-16-22(20,21)17-9-6-7-18(11(9)19)10-5-3-2-4-8(10)12(13,14)15/h2-5,9,16-17H,6-7H2,1H3/t9-/m1/s1
InChIKeyPVYCFCTWKXSDHW-SECBINFHSA-N
XLogP0.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-bromo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 97300292
(2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide
CID 124618540
3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one
CID 117014136
3-(methoxymethyl)-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxetane-3-carboxamide
CID 166316770
1,5-dimethyl-4-[[[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]methyl]pyrrole-2-carbonitrile
CID 99778089
1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133419749
2-chloro-2,2-difluoro-N-[(3R)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 99697494
N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315016
3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956531
4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133340345
1-[2-(trifluoromethyl)phenyl]piperidine-2,3-dione
CID 117013796
N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119980070

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 125142953) is (3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one is CNS(=O)(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of (3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is PVYCFCTWKXSDHW-SECBINFHSA-N. The full InChI is InChI=1S/C12H14F3N3O3S/c1-16-22(20,21)17-9-6-7-18(11(9)19)10-5-3-2-4-8(10)12(13,14)15/h2-5,9,16-17H,6-7H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one?
(3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 337.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methylsulfamoylamino)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 125142953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).